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On the accuracy of the non-self-consistent calculation of the electronic structure of solids with hybrid functionals

A simple approximation within the framework of the hybrid methods for the calculation of the electronic structure of solids is presented. By considering only the diagonal elements of the matrix of the perturbation operator (Hartree–Fock exchange minus semilocal exchange) calculated in the basis of t...

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Detalles Bibliográficos
Autor principal:	Tran, Fabien
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2012
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3280356/ https://www.ncbi.nlm.nih.gov/pubmed/22368320 http://dx.doi.org/10.1016/j.physleta.2012.01.022

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